CID 2757541

(4-chloro-3-fluorophenyl)methanamine

Structural Information

Molecular Formula
C7H7ClFN
SMILES
C1=CC(=C(C=C1CN)F)Cl
InChI
InChI=1S/C7H7ClFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
InChIKey
HSNPBYKCCNMQNA-UHFFFAOYSA-N
Compound name
(4-chloro-3-fluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

348
Patents

159.0251 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.032376 127.3
[M+Na]+ 182.014318 137.4
[M-H]- 158.017824 129.6
[M+NH4]+ 177.058923 149.0
[M+K]+ 197.988258 133.1
[M+H-H2O]+ 142.022360 122.2
[M+HCOO]- 204.023301 147.3
[M+CH3COO]- 218.038951 178.2
[M+Na-2H]- 179.999766 133.4
[M]+ 159.02455142 126.3
[M]- 159.02564858 126.3
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