CID 14066960

119403-54-2

Structural Information

Molecular Formula
C13H5F13N2
SMILES
C1=CC=C2C(=C1)NC(=N2)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H5F13N2/c14-8(15,7-27-5-3-1-2-4-6(5)28-7)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1-4H,(H,27,28)
InChIKey
IHKGKJQHIIWIAQ-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

436.0245 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.03178 187.5
[M+Na]+ 459.01372 198.6
[M-H]- 435.01722 174.5
[M+NH4]+ 454.05832 196.0
[M+K]+ 474.98766 191.9
[M+H-H2O]+ 419.02176 172.2
[M+HCOO]- 481.02270 185.3
[M+CH3COO]- 495.03835 223.7
[M+Na-2H]- 456.99917 192.0
[M]+ 436.02395 169.0
[M]- 436.02505 169.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.