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

320
Patents

159.0251 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.03238 127.3
[M+Na]+ 182.01432 137.4
[M-H]- 158.01782 129.6
[M+NH4]+ 177.05892 149.0
[M+K]+ 197.98826 133.1
[M+H-H2O]+ 142.02236 122.2
[M+HCOO]- 204.02330 147.3
[M+CH3COO]- 218.03895 178.2
[M+Na-2H]- 179.99977 133.4
[M]+ 159.02455 126.3
[M]- 159.02565 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