CID 136940

Benzenamine, 2,3,4,5,6-pentafluoro-n-methyl-

Structural Information

Molecular Formula
C7H4F5N
SMILES
CNC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C7H4F5N/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h13H,1H3
InChIKey
ZWWAUEAPYBCUMT-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentafluoro-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

197.02638 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03366 130.5
[M+Na]+ 220.01560 142.8
[M-H]- 196.01910 129.2
[M+NH4]+ 215.06020 150.6
[M+K]+ 235.98954 139.2
[M+H-H2O]+ 180.02364 121.3
[M+HCOO]- 242.02458 151.2
[M+CH3COO]- 256.04023 190.0
[M+Na-2H]- 218.00105 133.6
[M]+ 197.02583 124.8
[M]- 197.02693 124.8
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

patents stripe