CID 2783277

(2,3,4,6-tetrafluorophenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H5F4N
SMILES
C1=C(C(=C(C(=C1F)F)F)CN)F
InChI
InChI=1S/C7H5F4N/c8-4-1-5(9)7(11)6(10)3(4)2-12/h1H,2,12H2
InChIKey
ZHLFJXUBVIROCT-UHFFFAOYSA-N
Compound name
(2,3,4,6-tetrafluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

179.03581 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.043086 128.6
[M+Na]+ 202.025028 139.9
[M-H]- 178.028534 127.8
[M+NH4]+ 197.069633 149.0
[M+K]+ 217.998968 136.4
[M+H-H2O]+ 162.033070 120.1
[M+HCOO]- 224.034011 149.8
[M+CH3COO]- 238.049661 185.2
[M+Na-2H]- 200.010476 131.9
[M]+ 179.03526142 122.8
[M]- 179.03635858 122.8
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