CID 79055161

3-fluoro-n,5-dimethylaniline hydrochloride

Structural Information

Molecular Formula
C8H10FN
SMILES
CC1=CC(=CC(=C1)F)NC
InChI
InChI=1S/C8H10FN/c1-6-3-7(9)5-8(4-6)10-2/h3-5,10H,1-2H3
InChIKey
VQRVLBJOLAKRQE-UHFFFAOYSA-N
Compound name
3-fluoro-N,5-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

139.07973 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.087006 124.9
[M+Na]+ 162.068948 133.9
[M-H]- 138.072454 128.0
[M+NH4]+ 157.113553 147.0
[M+K]+ 178.042888 131.8
[M+H-H2O]+ 122.076990 118.9
[M+HCOO]- 184.077931 149.8
[M+CH3COO]- 198.093581 178.1
[M+Na-2H]- 160.054396 132.1
[M]+ 139.07918142 123.4
[M]- 139.08027858 123.4
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