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 130.1
[M+Na]+ 222.01147 140.6
[M-H]- 198.01497 137.5
[M+NH4]+ 217.05607 145.8
[M+K]+ 237.98541 135.2
[M+H-H2O]+ 182.01951 124.7
[M+HCOO]- 244.02045 146.0
[M+CH3COO]- 258.03610 143.7
[M+Na-2H]- 219.99692 133.7
[M]+ 199.02170 134.0
[M]- 199.02280 134.0
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

No patent data available for this compound.