CID 68471265

1790156-20-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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

literature stripe

Patent stripe

patents stripe