CID 3721837

(pentafluorophenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H4F5N
SMILES
C(C1=C(C(=C(C(=C1F)F)F)F)F)N
InChI
InChI=1S/C7H4F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1,13H2
InChIKey
BHRRPEQUXZLXBW-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentafluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

197.02638 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03366 131.2
[M+Na]+ 220.01560 143.5
[M-H]- 196.01910 129.4
[M+NH4]+ 215.06020 151.0
[M+K]+ 235.98954 139.6
[M+H-H2O]+ 180.02364 122.0
[M+HCOO]- 242.02458 151.3
[M+CH3COO]- 256.04023 189.4
[M+Na-2H]- 218.00105 133.2
[M]+ 197.02583 124.5
[M]- 197.02693 124.5
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