CID 11763202

237738-71-5

Structural Information

Molecular Formula
C19H15F13N2O
SMILES
C1=CC=C2C(=C1)NC(=N2)CCCCCC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C19H15F13N2O/c20-14(21,15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32)12(35)8-2-1-3-9-13-33-10-6-4-5-7-11(10)34-13/h4-7H,1-3,8-9H2,(H,33,34)
InChIKey
MITMTPJIARYTDP-UHFFFAOYSA-N
Compound name
1-(1H-benzimidazol-2-yl)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecan-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

534.09766 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.10494 214.4
[M+Na]+ 557.08688 222.9
[M-H]- 533.09038 200.5
[M+NH4]+ 552.13148 218.9
[M+K]+ 573.06082 215.6
[M+H-H2O]+ 517.09492 198.3
[M+HCOO]- 579.09586 209.8
[M+CH3COO]- 593.11151 241.2
[M+Na-2H]- 555.07233 215.7
[M]+ 534.09711 197.9
[M]- 534.09821 197.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.