CID 33788911

2-chloro-4-fluoro-n-(propan-2-yl)aniline

Structural Information

Molecular Formula
C9H11ClFN
SMILES
CC(C)NC1=C(C=C(C=C1)F)Cl
InChI
InChI=1S/C9H11ClFN/c1-6(2)12-9-4-3-7(11)5-8(9)10/h3-6,12H,1-2H3
InChIKey
HJLMLHVQHAIPQS-UHFFFAOYSA-N
Compound name
2-chloro-4-fluoro-N-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

187.05641 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.06369 136.3
[M+Na]+ 210.04563 145.3
[M-H]- 186.04913 138.9
[M+NH4]+ 205.09023 157.1
[M+K]+ 226.01957 141.4
[M+H-H2O]+ 170.05367 130.8
[M+HCOO]- 232.05461 155.3
[M+CH3COO]- 246.07026 185.8
[M+Na-2H]- 208.03108 141.1
[M]+ 187.05586 136.5
[M]- 187.05696 136.5
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