CID 14923060

1-methyl-4-(tridecafluorohexyl)benzene

Structural Information

Molecular Formula
C13H7F13
SMILES
CC1=CC=C(C=C1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H7F13/c1-6-2-4-7(5-3-6)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h2-5H,1H3
InChIKey
AZHRXWLCCNPYKN-UHFFFAOYSA-N
Compound name
1-methyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

410.03403 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.04131 181.2
[M+Na]+ 433.02325 190.9
[M-H]- 409.02675 170.2
[M+NH4]+ 428.06785 191.1
[M+K]+ 448.99719 185.8
[M+H-H2O]+ 393.03129 166.3
[M+HCOO]- 455.03223 181.1
[M+CH3COO]- 469.04788 224.2
[M+Na-2H]- 431.00870 183.7
[M]+ 410.03348 161.6
[M]- 410.03458 161.6
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

patents stripe