CID 14155411

2-fluoro-6-methylaniline

Structural Information

Molecular Formula
C7H8FN
SMILES
CC1=C(C(=CC=C1)F)N
InChI
InChI=1S/C7H8FN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3
InChIKey
CMVJYZNBMRJICR-UHFFFAOYSA-N
Compound name
2-fluoro-6-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

711
Patents

125.06408 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.07136 120.9
[M+Na]+ 148.05330 130.3
[M-H]- 124.05680 123.6
[M+NH4]+ 143.09790 143.2
[M+K]+ 164.02724 128.1
[M+H-H2O]+ 108.06134 115.1
[M+HCOO]- 170.06228 145.5
[M+CH3COO]- 184.07793 174.3
[M+Na-2H]- 146.03875 127.5
[M]+ 125.06353 117.9
[M]- 125.06463 117.9
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