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

28
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 149.2
[M+Na]+ 220.01560 157.1
[M+NH4]+ 215.06020 153.4
[M+K]+ 235.98954 151.6
[M-H]- 196.01910 145.3
[M+Na-2H]- 218.00105 151.5
[M]+ 197.02583 148.8
[M]- 197.02693 148.8
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