CID 1830892

27312-94-3

Structural Information

Molecular Formula
C16H11ClF3NOS
SMILES
C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)CCCl
InChI
InChI=1S/C16H11ClF3NOS/c17-8-7-15(22)21-11-3-1-2-4-13(11)23-14-6-5-10(9-12(14)21)16(18,19)20/h1-6,9H,7-8H2
InChIKey
FXICIRYKSSFPAZ-UHFFFAOYSA-N
Compound name
3-chloro-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

357.0202 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.02748 173.1
[M+Na]+ 380.00942 183.3
[M-H]- 356.01292 173.0
[M+NH4]+ 375.05402 188.4
[M+K]+ 395.98336 175.9
[M+H-H2O]+ 340.01746 164.3
[M+HCOO]- 402.01840 177.3
[M+CH3COO]- 416.03405 210.3
[M+Na-2H]- 377.99487 176.0
[M]+ 357.01965 174.2
[M]- 357.02075 174.2
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