CID 54023234

947255-03-0

Structural Information

Molecular Formula
C7H9FN2
SMILES
CNC1=C(C(=CC=C1)F)N
InChI
InChI=1S/C7H9FN2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,10H,9H2,1H3
InChIKey
LAJWZLKKWVVQBH-UHFFFAOYSA-N
Compound name
3-fluoro-1-N-methylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

140.07498 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.082256 125.1
[M+Na]+ 163.064198 133.7
[M-H]- 139.067704 127.7
[M+NH4]+ 158.108803 146.4
[M+K]+ 179.038138 131.4
[M+H-H2O]+ 123.072240 118.7
[M+HCOO]- 185.073181 150.7
[M+CH3COO]- 199.088831 179.3
[M+Na-2H]- 161.049646 132.0
[M]+ 140.07443142 121.4
[M]- 140.07552858 121.4
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