CID 104138951

3-chloro-4-(cyclopropylsulfanyl)aniline

Structural Information

Molecular Formula
C9H10ClNS
SMILES
C1CC1SC2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C9H10ClNS/c10-8-5-6(11)1-4-9(8)12-7-2-3-7/h1,4-5,7H,2-3,11H2
InChIKey
DIFZTXIJJRUUEU-UHFFFAOYSA-N
Compound name
3-chloro-4-cyclopropylsulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.02225 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.02953 138.4
[M+Na]+ 222.01147 153.1
[M+NH4]+ 217.05607 149.3
[M+K]+ 237.98541 145.2
[M-H]- 198.01497 150.0
[M+Na-2H]- 219.99692 148.7
[M]+ 199.02170 145.7
[M]- 199.02280 145.7
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

No patent data available for this compound.