CID 18672388

1955506-08-7

Structural Information

Molecular Formula
C7H7ClIN
SMILES
C1=CC(=C(C=C1Cl)CN)I
InChI
InChI=1S/C7H7ClIN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
InChIKey
VDNYREJIIBMKSW-UHFFFAOYSA-N
Compound name
(5-chloro-2-iodophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

266.93118 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.93846 139.7
[M+Na]+ 289.92040 142.3
[M-H]- 265.92390 136.3
[M+NH4]+ 284.96500 156.3
[M+K]+ 305.89434 144.0
[M+H-H2O]+ 249.92844 131.6
[M+HCOO]- 311.92938 155.4
[M+CH3COO]- 325.94503 187.1
[M+Na-2H]- 287.90585 133.6
[M]+ 266.93063 137.3
[M]- 266.93173 137.3
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