CID 9957

3-fluoro-4-methylaniline

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1720
Patents

125.06408 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe