CID 9584673

Ap-18

Structural Information

Molecular Formula
C11H12ClNO
SMILES
C/C(=C\C1=CC=C(C=C1)Cl)/C(=N/O)/C
InChI
InChI=1S/C11H12ClNO/c1-8(9(2)13-14)7-10-3-5-11(12)6-4-10/h3-7,14H,1-2H3/b8-7+,13-9+
InChIKey
MHTJEUOFLVQMCL-NJHPPEEMSA-N
Compound name
(NE)-N-[(E)-4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

52
Patents

209.06075 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06803 145.0
[M+Na]+ 232.04997 152.7
[M-H]- 208.05347 148.7
[M+NH4]+ 227.09457 164.6
[M+K]+ 248.02391 148.4
[M+H-H2O]+ 192.05801 140.0
[M+HCOO]- 254.05895 164.1
[M+CH3COO]- 268.07460 187.7
[M+Na-2H]- 230.03542 148.8
[M]+ 209.06020 146.0
[M]- 209.06130 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe