CID 19858575

2-iodo-4-(methylsulfanyl)aniline

Structural Information

Molecular Formula
C7H8INS
SMILES
CSC1=CC(=C(C=C1)N)I
InChI
InChI=1S/C7H8INS/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChIKey
GSOYWOHDSKTUTO-UHFFFAOYSA-N
Compound name
2-iodo-4-methylsulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

264.94223 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.94951 141.7
[M+Na]+ 287.93145 143.7
[M-H]- 263.93495 138.6
[M+NH4]+ 282.97605 158.1
[M+K]+ 303.90539 146.3
[M+H-H2O]+ 247.93949 132.6
[M+HCOO]- 309.94043 156.5
[M+CH3COO]- 323.95608 187.0
[M+Na-2H]- 285.91690 132.7
[M]+ 264.94168 139.4
[M]- 264.94278 139.4
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