CID 39871971

2-chloro-5-iodoaniline

Structural Information

Molecular Formula
C6H5ClIN
SMILES
C1=CC(=C(C=C1I)N)Cl
InChI
InChI=1S/C6H5ClIN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2
InChIKey
PSXCVXYHPJLMGU-UHFFFAOYSA-N
Compound name
2-chloro-5-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

252.91553 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.92281 134.8
[M+Na]+ 275.90475 137.8
[M-H]- 251.90825 131.5
[M+NH4]+ 270.94935 151.9
[M+K]+ 291.87869 139.8
[M+H-H2O]+ 235.91279 126.9
[M+HCOO]- 297.91373 150.8
[M+CH3COO]- 311.92938 184.2
[M+Na-2H]- 273.89020 129.2
[M]+ 252.91498 132.0
[M]- 252.91608 132.0
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